6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide

C24H24N6O2 — CID 67108153

IUPAC6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c3ccc(-c4ccnc(N)n4)cc3nn2CC2CC2)c1
InChIInChI=1S/C24H24N6O2/c1-32-18-4-2-3-16(11-18)13-27-23(31)22-19-8-7-17(20-9-10-26-24(25)28-20)12-21(19)29-30(22)14-15-5-6-15/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,27,31)(H2,25,26,28)
InChIKeyTXRKHTJANHGWRK-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.42
Rot. Bonds7

About 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide

6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide (PubChem CID 67108153) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide
PubChem CID67108153
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c3ccc(-c4ccnc(N)n4)cc3nn2CC2CC2)c1
InChIInChI=1S/C24H24N6O2/c1-32-18-4-2-3-16(11-18)13-27-23(31)22-19-8-7-17(20-9-10-26-24(25)28-20)12-21(19)29-30(22)14-15-5-6-15/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,27,31)(H2,25,26,28)
InChIKeyTXRKHTJANHGWRK-UHFFFAOYSA-N
XLogP3.42
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 117077677
6-(2-aminopyrimidin-4-yl)-N-[(3-methoxyphenyl)methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 52935276
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-methoxyphenyl)methyl]-4-pyridin-2-ylbenzamide
CID 59673307
4-[2-[[4-(acetamidomethyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268549
4-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 50847066
4-[2-[4-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 58716591
4-[2-[[(1R,3S)-3-(hydroxymethyl)cyclopentyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70270410
4-[2-[[4-(dimethylcarbamoyl)cyclohexyl]methyl]tetrazol-5-yl]-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2-carboxamide
CID 70268532
4-methoxy-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)quinoline-6-carboxamide
CID 46319113
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide?
The IUPAC name of 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide (CID 67108153) is 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide is COc1cccc(CNC(=O)c2c3ccc(-c4ccnc(N)n4)cc3nn2CC2CC2)c1.
What is the InChIKey of 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide?
The InChIKey is TXRKHTJANHGWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-32-18-4-2-3-16(11-18)13-27-23(31)22-19-8-7-17(20-9-10-26-24(25)28-20)12-21(19)29-30(22)14-15-5-6-15/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,27,31)(H2,25,26,28).
What are the key properties of 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide?
6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-4-yl)-2-(cyclopropylmethyl)-N-[(3-methoxyphenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 67108153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).